Methyl 2-acetamido-3-methyl-5-nitrobenzoate

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Basic information

CAS: 632291-68-0
Standard SMILES: COC(=O)c1cc([N+](=O)[O-])cc(C)c1NC(C)=O
InChIKey: CTRBXYMUCRFWGM-UHFFFAOYSA-N
Molecular formula: C11H12N2O5
Average molar mass: 252.22 g/mol
Monoisotopic mass: 252.07462149

Names & identifiers

Preferred name: Methyl 2-acetamido-3-methyl-5-nitrobenzoate
IUPAC: methyl 2-acetamido-3-methyl-5-nitrobenzoate

Names & synonyms

methyl 2-acetamido-3-methyl-5-nitrobenzoate632291-68-0DTXSID00398676RefChem:353991DTXCID30349535methyl 2-(acetylamino)-3-methyl-5-nitrobenzoateMFCD03990486SBB002558STK776290AKOS005618142ST4105086CS-0322770

Show more names

methyl 2-acetamido-3-methyl-5-nitro-benzoate

Database identifiers

CAS: 632291-68-0
PubChem CID: 4035855
DTXSID: DTXSID00398676

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 352

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Compound notes

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