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

Systemtic Name: methyl 4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(3-methylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(3-methylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-methylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-(m-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=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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