[4-chloranyl-3-[methyl(2-methylpropyl)amino]phenyl]-nitro-carbamic acid

Systemtic Name: [4-chloranyl-3-[methyl(2-methylpropyl)amino]phenyl]-nitro-carbamic acid Openeye Name: [4-chloro-3-[isobutyl(methyl)amino]phenyl]-nitro-carbamic acid CAS Name: [4-chloro-3-[methyl(2-methylpropyl)amino]phenyl]-nitrocarbamic acid IUPAC Name: [4-chloro-3-[methyl(2-methylpropyl)amino]phenyl]-nitrocarbamic acid Traditional Name: [4-chloro-3-[isobutyl(methyl)amino]phenyl]-nitro-carbamic acid Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C1=C(C=CC(=C1)N(C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CN(C)C1=C(C=CC(=C1)N(C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H16ClN3O4/c1-8(2)7-14(3)11-6-9(4-5-10(11)13)15(12(17)18)16(19)20/h4-6,8H,7H2,1-3H3,(H,17,18)