methyl 4-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H17ClN2O6/c1-10-6-11(2)17(13(19)7-10)20-16(22)9-27-15-5-4-12(18(23)26-3)8-14(15)21(24)25/h4-8H,9H2,1-3H3,(H,20,22)