butyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: butyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: butyl-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: butyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: butyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: butyl-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]ammonium Formula: C13H20N3O4+ MolecularWeight: 282.3156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCCC[NH2+]CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H19N3O4/c1-3-4-7-14-9-13(17)15-11-8-10(16(18)19)5-6-12(11)20-2/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,15,17)/p+1