N-[(E)-(1-methyl-3-phenyl-piperidin-4-ylidene)amino]-2,4-dinitro-aniline hydrochloride

Systemtic Name: N-[(E)-(1-methyl-3-phenyl-piperidin-4-ylidene)amino]-2,4-dinitro-aniline hydrochloride Openeye Name: N-[(E)-(1-methyl-3-phenyl-4-piperidylidene)amino]-2,4-dinitro-aniline hydrochloride CAS Name: N-[(E)-(1-methyl-3-phenyl-4-piperidinylidene)amino]-2,4-dinitroaniline hydrochloride IUPAC Name: N-[(E)-(1-methyl-3-phenylpiperidin-4-ylidene)amino]-2,4-dinitroaniline hydrochloride Traditional Name: (2,4-dinitrophenyl)-[(E)-(1-methyl-3-phenyl-4-piperidylidene)amino]amine hydrochloride Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C1)C3=CC=CC=C3.Cl

Isomeric SMILES

CN1CC/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C(C1)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H19N5O4.ClH/c1-21-10-9-16(15(12-21)13-5-3-2-4-6-13)19-20-17-8-7-14(22(24)25)11-18(17)23(26)27;/h2-8,11,15,20H,9-10,12H2,1H3;1H/b19-16+;