ethyl-[(7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]carbamic acid

Systemtic Name: ethyl-[(7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]carbamic acid Openeye Name: ethyl-[(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]carbamic acid CAS Name: ethyl-[(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]carbamic acid IUPAC Name: ethyl-[(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]carbamic acid Traditional Name: ethyl-[(2-keto-7-nitro-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]carbamic acid Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN(CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H18N4O5/c1-2-21(19(25)26)12-22-16-9-8-14(23(27)28)10-15(16)18(20-11-17(22)24)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,25,26)