[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH2+]C(C)C2=CC=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH2+][C@H](C)C2=CC=CC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-12-9-16(21(23)24)17(25-3)10-15(12)20-18(22)11-19-13(2)14-7-5-4-6-8-14/h4-10,13,19H,11H2,1-3H3,(H,20,22)/p+1/t13-/m1/s1