N-methyl-2-nitro-3-(3-propylheptan-2-yl)aniline

Systemtic Name: N-methyl-2-nitro-3-(3-propylheptan-2-yl)aniline Openeye Name: N-methyl-3-(1-methyl-2-propyl-hexyl)-2-nitro-aniline CAS Name: N-methyl-2-nitro-3-(3-propylheptan-2-yl)aniline IUPAC Name: N-methyl-2-nitro-3-(3-propylheptan-2-yl)aniline Traditional Name: methyl-[3-(1-methyl-2-propyl-hexyl)-2-nitro-phenyl]amine Formula: C17H28N2O2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C(C)C1=C(C(=CC=C1)NC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CCC)C(C)C1=C(C(=CC=C1)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H28N2O2/c1-5-7-10-14(9-6-2)13(3)15-11-8-12-16(18-4)17(15)19(20)21/h8,11-14,18H,5-7,9-10H2,1-4H3