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

Systemtic Name: methyl 4-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2-chloro-4-methyl-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2-chloro-4-methyl-anilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O6/c1-10-3-5-13(12(18)7-10)19-16(21)9-26-15-6-4-11(17(22)25-2)8-14(15)20(23)24/h3-8H,9H2,1-2H3,(H,19,21)