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

Systemtic Name: N-[(E)-4-(3-ethyl-5-methyl-1-benzofuran-2-yl)butan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[3-(3-ethyl-5-methyl-benzofuran-2-yl)-1-methyl-propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-4-(3-ethyl-5-methyl-2-benzofuranyl)butan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-4-(3-ethyl-5-methyl-1-benzofuran-2-yl)butan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[3-(3-ethyl-5-methyl-benzofuran-2-yl)-1-methyl-propylidene]amino]amine Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C1C=C(C=C2)C)CCC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(OC2=C1C=C(C=C2)C)CC/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C21H22N4O5/c1-4-16-17-11-13(2)5-9-21(17)30-20(16)10-6-14(3)22-23-18-8-7-15(24(26)27)12-19(18)25(28)29/h5,7-9,11-12,23H,4,6,10H2,1-3H3/b22-14+