Basic information
- Standard SMILES
COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C- InChIKey
CXOUMWIFPBNLCI-UHFFFAOYSA-N- Molecular formula
- C13H14N4O5
- Average molar mass
- 306.27 g/mol
- Monoisotopic mass
- 306.09641956
Names & identifiers
- Preferred name
- Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylate
- IUPAC
- methyl 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxylate
Names & synonyms
69910-20-9CHEMBL276453SCHEMBL2393205Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylateDA-41656Methyl(1-methyl-4-(1-methyl-4-nitro-2-pyrrolamido)-2-pyrrolecarboxylate)Methyl 1-methyl-4-(1-methyl-4-nitro-1H-pyrrole-2-carboxamido)-1H-pyrrole-2-carboxylateMethyl 1-methyl-4-([(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino)-1H-pyrrole-2-carboxylate #
Database identifiers
- PubChem CID
- 592893
- ChEMBL
CHEMBL276453- Nikkaji
- J1.361.855K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 466
Related reactions
20 records
Compound notes
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