4-isocyano-N-(3-methylbutyl)-2-nitro-aniline

Systemtic Name: 4-isocyano-N-(3-methylbutyl)-2-nitro-aniline Openeye Name: 4-isocyano-N-isopentyl-2-nitro-aniline CAS Name: 4-isocyano-N-(3-methylbutyl)-2-nitroaniline IUPAC Name: 4-isocyano-N-(3-methylbutyl)-2-nitroaniline Traditional Name: isoamyl-(4-isocyano-2-nitro-phenyl)amine Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)[N+]#[C-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)[N+]#[C-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O2/c1-9(2)6-7-14-11-5-4-10(13-3)8-12(11)15(16)17/h4-5,8-9,14H,6-7H2,1-2H3