[(7-nitro-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-phenylcarbamate

Systemtic Name: [(7-nitro-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-phenylcarbamate Openeye Name: [(3-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(3-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] ester IUPAC Name: [(3-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(3-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] ester Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=NC3=C2C=C(C=C3)[N+](=O)[O-])NOC(=O)NC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=NC3=C2C=C(C=C3)[N+](=O)[O-])NOC(=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C22H17N5O5/c28-21-20(26-32-22(29)23-15-9-5-2-6-10-15)24-18-12-11-16(27(30)31)13-17(18)19(25-21)14-7-3-1-4-8-14/h1-13,21,28H,(H,23,29)(H,24,26)