(3S)-2-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-(N-methyl-4-nitro-anilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4/c1-21(15-6-8-16(9-7-15)23(26)27)18(24)12-22-11-14-5-3-2-4-13(14)10-17(22)19(20)25/h2-9,17H,10-12H2,1H3,(H2,20,25)/t17-/m0/s1