[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C21H21ClN2O7/c1-4-30-18-11-14(10-17(22)20(18)29-3)8-9-19(25)31-13(2)21(26)23-15-6-5-7-16(12-15)24(27)28/h5-13H,4H2,1-3H3,(H,23,26)/b9-8+