N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-nitro-benzamide

Systemtic Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-nitro-benzamide Openeye Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-nitro-benzamide CAS Name: N-[1-[4-(1-azepanyl)phenyl]ethylideneamino]-3-nitrobenzamide IUPAC Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-nitrobenzamide Traditional Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-nitro-benzamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H24N4O3/c1-16(22-23-21(26)18-7-6-8-20(15-18)25(27)28)17-9-11-19(12-10-17)24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14H2,1H3,(H,23,26)