ethyl N-[[1-(2-chlorophenyl)-8-nitro-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamate

Systemtic Name: ethyl N-[[1-(2-chlorophenyl)-8-nitro-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamate Openeye Name: ethyl N-[[1-(2-chlorophenyl)-8-nitro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamate CAS Name: N-[[1-(2-chlorophenyl)-8-nitro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[1-(2-chlorophenyl)-8-nitro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamate Traditional Name: N-[[1-(2-chlorophenyl)-2-keto-8-nitro-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid ethyl ester Formula: C18H16ClN5O5 MolecularWeight: 417.80314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])N(C(=O)C1)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)NNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])N(C(=O)C1)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClN5O5/c1-2-29-18(26)22-21-16-10-17(25)23(14-6-4-3-5-12(14)19)15-9-11(24(27)28)7-8-13(15)20-16/h3-9H,2,10H2,1H3,(H,20,21)(H,22,26)