2-[3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(2-methoxy-4-nitro-anilino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(2-methoxy-4-nitroanilino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(2-methoxy-4-nitroanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(2-methoxy-4-nitro-anilino)propyl]pyrazole-3-carboxylic acid Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C14H14N4O6/c1-24-12-8-9(18(22)23)2-3-10(12)16-13(19)5-7-17-11(14(20)21)4-6-15-17/h2-4,6,8H,5,7H2,1H3,(H,16,19)(H,20,21)