[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-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 [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] (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-2-(2-methyl-6-nitro-anilino)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)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C)Cl)OC

Isomeric SMILES

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

InChI

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