5-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-benzoic acid Openeye Name: 5-[2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]-2-methoxy-benzoic acid CAS Name: 5-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-methoxybenzoic acid IUPAC Name: 5-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-methoxybenzoic acid Traditional Name: 5-[2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]-2-methoxy-benzoic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H13N3O6/c1-27-16-6-5-11(8-15(16)18(23)24)7-12(10-19)17(22)20-13-3-2-4-14(9-13)21(25)26/h2-9H,1H3,(H,20,22)(H,23,24)