[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-methyl-3-nitro-benzoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

InChI

InChI=1S/C22H19N3O6/c1-4-10-24-21(26)16(13-23)11-15-8-9-19(20(12-15)30-3)31-22(27)17-6-5-7-18(14(17)2)25(28)29/h4-9,11-12H,1,10H2,2-3H3,(H,24,26)