(4-nitro-3-oxidanyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-nitro-3-oxidanyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-hydroxy-4-nitro-phenyl)methanone CAS Name: (3-hydroxy-4-nitrophenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-hydroxy-4-nitrophenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-hydroxy-4-nitro-phenyl)methanone Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4/c23-18-13-16(7-8-17(18)22(25)26)19(24)21-10-4-9-20(11-12-21)14-15-5-2-1-3-6-15/h1-3,5-8,13,23H,4,9-12,14H2