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

Systemtic Name: N-[(E)-[1-(benzotriazol-1-yl)-4,4-dimethyl-pentan-3-ylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[1-[2-(benzotriazol-1-yl)ethyl]-2,2-dimethyl-propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-[1-(1-benzotriazolyl)-4,4-dimethylpentan-3-ylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[1-(benzotriazol-1-yl)-4,4-dimethylpentan-3-ylidene]amino]-2,4-dinitroaniline Traditional Name: [(E)-[1-[2-(benzotriazol-1-yl)ethyl]-2,2-dimethyl-propylidene]amino]-(2,4-dinitrophenyl)amine Formula: C19H21N7O4 MolecularWeight: 411.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H21N7O4/c1-19(2,3)18(10-11-24-16-7-5-4-6-14(16)21-23-24)22-20-15-9-8-13(25(27)28)12-17(15)26(29)30/h4-9,12,20H,10-11H2,1-3H3/b22-18+