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

Systemtic Name: methyl 4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O6/c1-4-13-7-5-6-12(2)18(13)20-17(22)11-27-16-9-8-14(19(23)26-3)10-15(16)21(24)25/h5-10H,4,11H2,1-3H3,(H,20,22)