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

Systemtic Name: [(3-chlorophenyl)-(7-nitro-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] carbamate Openeye Name: (3-chloro-N-(3-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)anilino) carbamate CAS Name: carbamic acid (3-chloro-N-(3-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)anilino) ester IUPAC Name: (3-chloro-N-(3-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)anilino) carbamate Traditional Name: carbamic acid (3-chloro-N-(3-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)anilino) ester Formula: C22H16ClN5O5 MolecularWeight: 465.84594

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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-])N(C4=CC(=CC=C4)Cl)OC(=O)N)O

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5O5/c23-14-7-4-8-15(11-14)27(33-22(24)30)20-21(29)26-19(13-5-2-1-3-6-13)17-12-16(28(31)32)9-10-18(17)25-20/h1-12,21,29H,(H2,24,30)