4-[5-[(Z)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[(Z)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(Z)-2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(Z)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(Z)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(Z)-2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]-2-furyl]benzoic acid Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H13N3O6/c22-12-15(20(25)23-16-2-1-3-17(11-16)24(28)29)10-18-8-9-19(30-18)13-4-6-14(7-5-13)21(26)27/h1-11H,(H,23,25)(H,26,27)/b15-10-