1-(2-Carboxy-3-methoxyphenyl)-3-methyl-6-nitroindazole

HCID 11034772

Notes Reactions

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Basic information

Standard SMILES: COc1cccc(-n2nc(C)c3ccc([N+](=O)[O-])cc32)c1C(=O)O
InChIKey: MOFDEDQVRQAPCY-UHFFFAOYSA-N
Molecular formula: C16H13N3O5
Average molar mass: 327.29 g/mol

Names & identifiers

Preferred name: 1-(2-Carboxy-3-methoxyphenyl)-3-methyl-6-nitroindazole
IUPAC: 2-methoxy-6-(3-methyl-6-nitroindazol-1-yl)benzoic acid

Names & synonyms

SCHEMBL57365382-methoxy-6-(3-methyl-6-nitroindazol-1-yl)benzoic acidMOFDEDQVRQAPCY-UHFFFAOYSA-N126955-75-7F701791-(2-carboxy-3-methoxyphenyl)-3-methyl-6-nitroindazole

Database identifiers

PubChem CID: 11034772

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 110 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 497

Related reactions

3 records

New reaction record

HRID 207451As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1089878As productuspto-grants-1992_01

HRID 1588064As productuspto-grants-1993_06

Compound notes

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