1-[(3R)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[(3R)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-[(3R)-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea CAS Name: 1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[(3R)-2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O5/c1-28(2,3)23(34)17-32-22-15-8-7-14-21(22)24(18-10-5-4-6-11-18)30-25(26(32)35)31-27(36)29-19-12-9-13-20(16-19)33(37)38/h4-16,25H,17H2,1-3H3,(H2,29,31,36)/t25-/m0/s1