N-[(2S)-butan-2-yl]-4-methyl-2,6-dinitro-aniline

Systemtic Name: N-[(2S)-butan-2-yl]-4-methyl-2,6-dinitro-aniline Openeye Name: 4-methyl-N-[(1S)-1-methylpropyl]-2,6-dinitro-aniline CAS Name: N-[(2S)-butan-2-yl]-4-methyl-2,6-dinitroaniline IUPAC Name: N-[(2S)-butan-2-yl]-4-methyl-2,6-dinitroaniline Traditional Name: (4-methyl-2,6-dinitro-phenyl)-[(1S)-1-methylpropyl]amine Formula: C11H15N3O4 MolecularWeight: 253.2545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O4/c1-4-8(3)12-11-9(13(15)16)5-7(2)6-10(11)14(17)18/h5-6,8,12H,4H2,1-3H3/t8-/m0/s1