N-[(E)-(2-methoxy-2-phenyl-cycloheptylidene)amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(2-methoxy-2-phenyl-cycloheptylidene)amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(2-methoxy-2-phenyl-cycloheptylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(E)-(2-methoxy-2-phenylcycloheptylidene)amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(2-methoxy-2-phenylcycloheptylidene)amino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(2-methoxy-2-phenyl-cycloheptylidene)amino]amine Formula: C20H22N4O5 MolecularWeight: 398.41248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC\1(CCCCC/C1=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O5/c1-29-20(15-8-4-2-5-9-15)13-7-3-6-10-19(20)22-21-17-12-11-16(23(25)26)14-18(17)24(27)28/h2,4-5,8-9,11-12,14,21H,3,6-7,10,13H2,1H3/b22-19+