N-[[(3,4-dimethylcyclohex-3-en-1-yl)-phenyl-methylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[[(3,4-dimethylcyclohex-3-en-1-yl)-phenyl-methylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[[(3,4-dimethylcyclohex-3-en-1-yl)-phenyl-methylene]amino]-2,4-dinitro-aniline CAS Name: N-[[(3,4-dimethyl-1-cyclohex-3-enyl)-phenylmethylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[[(3,4-dimethylcyclohex-3-en-1-yl)-phenylmethylidene]amino]-2,4-dinitroaniline Traditional Name: [[(3,4-dimethylcyclohex-3-en-1-yl)-phenyl-methylene]amino]-(2,4-dinitrophenyl)amine Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(CC(CC1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4O4/c1-14-8-9-17(12-15(14)2)21(16-6-4-3-5-7-16)23-22-19-11-10-18(24(26)27)13-20(19)25(28)29/h3-7,10-11,13,17,22H,8-9,12H2,1-2H3