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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O6/c1-24-9-2-3-10(12(8-9)18(22)23)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)