5-(4-nitro-3-phenylmethoxy-phenyl)carbonyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-(4-nitro-3-phenylmethoxy-phenyl)carbonyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-(3-benzyloxy-4-nitro-benzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[(4-nitro-3-phenylmethoxyphenyl)-oxomethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-(4-nitro-3-phenylmethoxybenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-(3-benzoxy-4-nitro-benzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2NC1=O)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2NC1=O)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5/c27-22-12-13-25(19-9-5-4-8-18(19)24-22)23(28)17-10-11-20(26(29)30)21(14-17)31-15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,24,27)