[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O6/c1-12(2)24-20(26)15(11-23)8-13-4-7-18(19(9-13)30-3)31-21(27)14-5-6-16(22)17(10-14)25(28)29/h4-10,12H,1-3H3,(H,24,26)/b15-8+