[(7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(3,4-dichlorophenyl)carbamate

Systemtic Name: [(7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(3,4-dichlorophenyl)carbamate Openeye Name: [[7-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-(3,4-dichlorophenyl)carbamate CAS Name: N-(3,4-dichlorophenyl)carbamic acid [[7-nitro-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]amino] ester IUPAC Name: [(7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(3,4-dichlorophenyl)carbamate Traditional Name: N-(3,4-dichlorophenyl)carbamic acid [[7-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C21H14Cl2N6O4 MolecularWeight: 485.27966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=N3)NOC(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=N3)NOC(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N6O4/c22-15-6-4-12(9-16(15)23)26-21(30)33-28-19-11-25-20(18-3-1-2-8-24-18)14-10-13(29(31)32)5-7-17(14)27-19/h1-10H,11H2,(H,26,30)(H,27,28)