methyl-[(5-methylfuran-2-yl)methyl]-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(5-methylfuran-2-yl)methyl]-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(5-methyl-2-furyl)methyl]-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[(5-methyl-2-furanyl)methyl]-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: methyl-[(5-methylfuran-2-yl)methyl]-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(2-methyl-6-nitro-anilino)ethyl]-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(O2)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(O2)C

InChI

InChI=1S/C16H19N3O4/c1-11-5-4-6-14(19(21)22)16(11)17-15(20)10-18(3)9-13-8-7-12(2)23-13/h4-8H,9-10H2,1-3H3,(H,17,20)/p+1