methyl (3S)-2-(4-methyl-3-nitro-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-(4-methyl-3-nitro-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-(4-methyl-3-nitro-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(4-methyl-3-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-(4-methyl-3-nitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(4-methyl-3-nitro-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-12-7-8-14(10-16(12)21(24)25)18(22)20-11-15-6-4-3-5-13(15)9-17(20)19(23)26-2/h3-8,10,17H,9,11H2,1-2H3/t17-/m0/s1