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

Systemtic Name: 2-[4-[(E)-2-cyano-3-[(4-methyl-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-2-cyano-3-(4-methyl-2-nitro-anilino)-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(4-methyl-2-nitro-anilino)prop-1-enyl]phenoxy]acetate Formula: C19H14N3O6- MolecularWeight: 380.33096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC(=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)[O-])/C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6/c1-12-2-7-16(17(8-12)22(26)27)21-19(25)14(10-20)9-13-3-5-15(6-4-13)28-11-18(23)24/h2-9H,11H2,1H3,(H,21,25)(H,23,24)/p-1/b14-9+