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

Systemtic Name: 2-[4-[(E)-2-cyano-3-[(4-methyl-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-cyano-3-(4-methyl-2-nitro-anilino)-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(4-methyl-2-nitro-anilino)prop-1-enyl]phenoxy]acetic acid Formula: C19H15N3O6 MolecularWeight: 381.3389

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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)/b14-9+