4-[5-[(E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]-2-furyl]benzoate Formula: C21H12N3O6- MolecularWeight: 402.33648

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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)/p-1/b15-10+