3,5-dinitro-N-[(E)-[2-(phenylmethyl)-3-propan-2-yl-cyclopentylidene]amino]aniline

Systemtic Name: 3,5-dinitro-N-[(E)-[2-(phenylmethyl)-3-propan-2-yl-cyclopentylidene]amino]aniline Openeye Name: N-[(E)-(2-benzyl-3-isopropyl-cyclopentylidene)amino]-3,5-dinitro-aniline CAS Name: 3,5-dinitro-N-[(E)-[2-(phenylmethyl)-3-propan-2-ylcyclopentylidene]amino]aniline IUPAC Name: N-[(E)-(2-benzyl-3-propan-2-ylcyclopentylidene)amino]-3,5-dinitroaniline Traditional Name: [(E)-(2-benzyl-3-isopropyl-cyclopentylidene)amino]-(3,5-dinitrophenyl)amine Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(=NNC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C1CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1CC/C(=N\NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])/C1CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-14(2)19-8-9-21(20(19)10-15-6-4-3-5-7-15)23-22-16-11-17(24(26)27)13-18(12-16)25(28)29/h3-7,11-14,19-20,22H,8-10H2,1-2H3/b23-21+