1-(2-nitrophenyl)-3-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(2-nitrophenyl)-3-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(2-nitrophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(2-nitrophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(2-nitrophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-(2-nitrophenyl)urea Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4/c28-21-20(26-22(29)24-17-12-6-7-13-18(17)27(30)31)25-19(14-8-2-1-3-9-14)15-10-4-5-11-16(15)23-21/h1-13,20H,(H,23,28)(H2,24,26,29)