methyl 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(3,5-dimethylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(3,5-dimethylanilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-11-6-12(2)8-14(7-11)19-17(21)10-26-16-5-4-13(18(22)25-3)9-15(16)20(23)24/h4-9H,10H2,1-3H3,(H,19,21)