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

Systemtic Name: methyl 4-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-12(2)15-7-5-6-13(3)19(15)21-18(23)11-28-17-9-8-14(20(24)27-4)10-16(17)22(25)26/h5-10,12H,11H2,1-4H3,(H,21,23)