2-[4-[(E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]phenoxy]acetate Formula: C18H12N3O6- MolecularWeight: 366.30438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC=C(C=C2)OCC(=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6/c19-10-13(8-12-4-6-16(7-5-12)27-11-17(22)23)18(24)20-14-2-1-3-15(9-14)21(25)26/h1-9H,11H2,(H,20,24)(H,22,23)/p-1/b13-8+