N-(2-methylpent-1-en-3-yl)-2,4-dinitro-aniline

Systemtic Name: N-(2-methylpent-1-en-3-yl)-2,4-dinitro-aniline Openeye Name: N-(1-ethyl-2-methyl-allyl)-2,4-dinitro-aniline CAS Name: N-(2-methylpent-1-en-3-yl)-2,4-dinitroaniline IUPAC Name: N-(2-methylpent-1-en-3-yl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(1-ethyl-2-methyl-allyl)amine Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=C)C)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C(=C)C)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4/c1-4-10(8(2)3)13-11-6-5-9(14(16)17)7-12(11)15(18)19/h5-7,10,13H,2,4H2,1,3H3