[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium Openeye Name: isopentyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-(3-methylbutyl)ammonium IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-(3-methylbutyl)azanium Traditional Name: isoamyl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]ammonium Formula: C15H24N3O4+ MolecularWeight: 310.36876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH2+]CCC(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH2+]CCC(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O4/c1-10(2)5-6-16-9-15(19)17-12-8-14(22-4)13(18(20)21)7-11(12)3/h7-8,10,16H,5-6,9H2,1-4H3,(H,17,19)/p+1