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

Systemtic Name: 5-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-5-[2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 5-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-phenylmethoxybenzoic acid IUPAC Name: 5-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-5-[2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]benzoic acid Formula: C24H17N3O6 MolecularWeight: 443.40828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H17N3O6/c25-14-18(23(28)26-19-7-4-8-20(13-19)27(31)32)11-17-9-10-22(21(12-17)24(29)30)33-15-16-5-2-1-3-6-16/h1-13H,15H2,(H,26,28)(H,29,30)