N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2,4-dinitro-aniline CAS Name: N-[(Z)-1-[4-(1-azepanyl)phenyl]ethylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2,4-dinitroaniline Traditional Name: [(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-(2,4-dinitrophenyl)amine Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-15(16-6-8-17(9-7-16)23-12-4-2-3-5-13-23)21-22-19-11-10-18(24(26)27)14-20(19)25(28)29/h6-11,14,22H,2-5,12-13H2,1H3/b21-15-