4-(azepan-1-yl)-3-nitro-N-propyl-benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-propyl-benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-propyl-benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-propylbenzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-propylbenzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-propyl-benzamide Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3/c1-2-9-17-16(20)13-7-8-14(15(12-13)19(21)22)18-10-5-3-4-6-11-18/h7-8,12H,2-6,9-11H2,1H3,(H,17,20)