3-nitro-N-[4-[2-phenyl-3-(phenylcarbonyl)aziridin-1-yl]carbonylphenyl]benzamide

Systemtic Name: 3-nitro-N-[4-[2-phenyl-3-(phenylcarbonyl)aziridin-1-yl]carbonylphenyl]benzamide Openeye Name: N-[4-(2-benzoyl-3-phenyl-aziridine-1-carbonyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-[(2-benzoyl-3-phenyl-1-aziridinyl)-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(2-benzoyl-3-phenylaziridine-1-carbonyl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(2-benzoyl-3-phenyl-ethylenimine-1-carbonyl)phenyl]-3-nitro-benzamide Formula: C29H21N3O5 MolecularWeight: 491.49414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(N2C(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2C(N2C(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H21N3O5/c33-27(20-10-5-2-6-11-20)26-25(19-8-3-1-4-9-19)31(26)29(35)21-14-16-23(17-15-21)30-28(34)22-12-7-13-24(18-22)32(36)37/h1-18,25-26H,(H,30,34)