1-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-(3-nitrophenyl)-3-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Formula: C31H25N5O5 MolecularWeight: 547.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C31H25N5O5/c1-20-10-5-6-15-24(20)27(37)19-35-26-17-8-7-16-25(26)28(21-11-3-2-4-12-21)33-29(30(35)38)34-31(39)32-22-13-9-14-23(18-22)36(40)41/h2-18,29H,19H2,1H3,(H2,32,34,39)