(phenylmethyl) 6-azanyl-5,7,7-tricyano-8-(3-nitrophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-5,7,7-tricyano-8-(3-nitrophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: benzyl 6-amino-5,7,7-tricyano-8-(3-nitrophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(3-nitrophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-5,7,7-tricyano-8-(3-nitrophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(3-nitrophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid benzyl ester Formula: C26H20N6O4 MolecularWeight: 480.4748

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N6O4/c27-12-21-20-9-10-31(25(33)36-14-17-5-2-1-3-6-17)13-22(20)23(26(15-28,16-29)24(21)30)18-7-4-8-19(11-18)32(34)35/h1-9,11,22-23H,10,13-14,30H2