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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (3S)-2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(2-chlorophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C25H20ClN3O6 MolecularWeight: 493.8958

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C25H20ClN3O6/c26-20-8-4-3-7-19(20)24(31)28-13-17-6-2-1-5-15(17)11-22(28)25(32)35-14-18-10-9-16(23(27)30)12-21(18)29(33)34/h1-10,12,22H,11,13-14H2,(H2,27,30)/t22-/m0/s1