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

Systemtic Name: methyl 4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2-methylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2-methylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-(o-toluidino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-11-5-3-4-6-13(11)18-16(20)10-25-15-8-7-12(17(21)24-2)9-14(15)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)