N-[(E)-[1-(3,4-dimethoxyphenyl)cyclopentyl]methylideneamino]-3,4-dinitro-aniline

Systemtic Name: N-[(E)-[1-(3,4-dimethoxyphenyl)cyclopentyl]methylideneamino]-3,4-dinitro-aniline Openeye Name: N-[(E)-[1-(3,4-dimethoxyphenyl)cyclopentyl]methyleneamino]-3,4-dinitro-aniline CAS Name: N-[(E)-[1-(3,4-dimethoxyphenyl)cyclopentyl]methylideneamino]-3,4-dinitroaniline IUPAC Name: N-[(E)-[1-(3,4-dimethoxyphenyl)cyclopentyl]methylideneamino]-3,4-dinitroaniline Traditional Name: [(E)-[1-(3,4-dimethoxyphenyl)cyclopentyl]methyleneamino]-(3,4-dinitrophenyl)amine Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC2)C=NNC3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC2)/C=N/NC3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O6/c1-29-18-8-5-14(11-19(18)30-2)20(9-3-4-10-20)13-21-22-15-6-7-16(23(25)26)17(12-15)24(27)28/h5-8,11-13,22H,3-4,9-10H2,1-2H3/b21-13+