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

Systemtic Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-nitro-aniline Openeye Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-nitro-aniline CAS Name: N-[(E)-1-[4-(1-azepanyl)phenyl]ethylideneamino]-3-nitroaniline IUPAC Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-nitroaniline Traditional Name: [(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-(3-nitrophenyl)amine Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C/C(=N\NC1=CC(=CC=C1)[N+](=O)[O-])/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H24N4O2/c1-16(21-22-18-7-6-8-20(15-18)24(25)26)17-9-11-19(12-10-17)23-13-4-2-3-5-14-23/h6-12,15,22H,2-5,13-14H2,1H3/b21-16+