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

Systemtic Name: [(3-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate Openeye Name: [[3-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-[3-(trifluoromethyl)phenyl]carbamate CAS Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [[3-nitro-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]amino] ester IUPAC Name: [(3-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate Traditional Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [[3-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C22H15F3N6O4 MolecularWeight: 484.38751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=N2)NOC(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=N2)NOC(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C22H15F3N6O4/c23-22(24,25)13-6-5-7-14(12-13)27-21(32)35-30-19-20(31(33)34)29-18(17-10-3-4-11-26-17)15-8-1-2-9-16(15)28-19/h1-12,20H,(H,27,32)(H,28,30)