(2S)-2-azanyl-N-(1-methyl-7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: (2S)-2-azanyl-N-(1-methyl-7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: (2S)-2-amino-N-(1-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: (2S)-2-amino-N-(1-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: (2S)-2-amino-N-(1-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: (2S)-2-amino-N-(2-keto-1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)C)N

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)C)N

InChI

InChI=1S/C19H19N5O4/c1-11(20)18(25)22-17-19(26)23(2)15-9-8-13(24(27)28)10-14(15)16(21-17)12-6-4-3-5-7-12/h3-11,17H,20H2,1-2H3,(H,22,25)/t11-,17?/m0/s1