[[1-(2-chlorophenyl)-8-nitro-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid

Systemtic Name: [[1-(2-chlorophenyl)-8-nitro-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid Openeye Name: [[1-(2-chlorophenyl)-8-nitro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid CAS Name: [[1-(2-chlorophenyl)-8-nitro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid IUPAC Name: [[1-(2-chlorophenyl)-8-nitro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid Traditional Name: [[1-(2-chlorophenyl)-2-keto-8-nitro-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid Formula: C16H12ClN5O5 MolecularWeight: 389.74998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)C3=CC=CC=C3Cl)NNC(=O)O

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)C3=CC=CC=C3Cl)NNC(=O)O

InChI

InChI=1S/C16H12ClN5O5/c17-10-3-1-2-4-12(10)21-13-7-9(22(26)27)5-6-11(13)18-14(8-15(21)23)19-20-16(24)25/h1-7,20H,8H2,(H,18,19)(H,24,25)