N-[[1-(benzotriazol-1-yl)-2-methyl-pentan-3-ylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[[1-(benzotriazol-1-yl)-2-methyl-pentan-3-ylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[[3-(benzotriazol-1-yl)-1-ethyl-2-methyl-propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[[1-(1-benzotriazolyl)-2-methylpentan-3-ylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[[1-(benzotriazol-1-yl)-2-methylpentan-3-ylidene]amino]-2,4-dinitroaniline Traditional Name: [[3-(benzotriazol-1-yl)-1-ethyl-2-methyl-propylidene]amino]-(2,4-dinitrophenyl)amine Formula: C18H19N7O4 MolecularWeight: 397.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(C)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(C)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H19N7O4/c1-3-14(12(2)11-23-17-7-5-4-6-15(17)21-22-23)19-20-16-9-8-13(24(26)27)10-18(16)25(28)29/h4-10,12,20H,3,11H2,1-2H3