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

Systemtic Name: 2-[3-[(4-ethoxy-2-nitro-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(4-ethoxy-2-nitro-anilino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(4-ethoxy-2-nitroanilino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(4-ethoxy-2-nitroanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(4-ethoxy-2-nitro-anilino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O6/c1-2-25-10-3-4-11(13(9-10)19(23)24)17-14(20)6-8-18-12(15(21)22)5-7-16-18/h3-5,7,9H,2,6,8H2,1H3,(H,17,20)(H,21,22)