N-methyl-7-nitro-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride

Systemtic Name: N-methyl-7-nitro-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride Openeye Name: 4-hydroxy-N-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride CAS Name: 4-hydroxy-N-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride IUPAC Name: 4-hydroxy-N-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride Traditional Name: (4-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)-methyl-amine hydrochloride Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1CN(C(=C2C=C(C=CC2=N1)[N+](=O)[O-])C3=CC=CC=C3)O.Cl

Isomeric SMILES

CN=C1CN(C(=C2C=C(C=CC2=N1)[N+](=O)[O-])C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C16H14N4O3.ClH/c1-17-15-10-19(21)16(11-5-3-2-4-6-11)13-9-12(20(22)23)7-8-14(13)18-15;/h2-9,21H,10H2,1H3;1H