N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-(2,4-dinitrophenyl)amine Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N4O6/c1-11(2-3-12-4-7-16-17(8-12)27-10-26-16)18-19-14-6-5-13(20(22)23)9-15(14)21(24)25/h4-9,19H,2-3,10H2,1H3/b18-11+