4-(1,4-diazepan-1-yl)-3-nitro-benzamide

Systemtic Name: 4-(1,4-diazepan-1-yl)-3-nitro-benzamide Openeye Name: 4-(1,4-diazepan-1-yl)-3-nitro-benzamide CAS Name: 4-(1,4-diazepan-1-yl)-3-nitrobenzamide IUPAC Name: 4-(1,4-diazepan-1-yl)-3-nitrobenzamide Traditional Name: 4-(1,4-diazepan-1-yl)-3-nitro-benzamide Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3/c13-12(17)9-2-3-10(11(8-9)16(18)19)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2,(H2,13,17)