methyl (3R)-2-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CC3=CC=CC=C3CC2C(=O)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CC3=CC=CC=C3C[C@@H]2C(=O)OC)C

InChI

InChI=1S/C21H23N3O5/c1-13-8-9-17(24(27)28)20(14(13)2)22-19(25)12-23-11-16-7-5-4-6-15(16)10-18(23)21(26)29-3/h4-9,18H,10-12H2,1-3H3,(H,22,25)/t18-/m1/s1