2-methoxyethyl-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CCOC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-13-8-9-15(16(12-13)21(23)24)20-18(22)17(19-10-11-25-2)14-6-4-3-5-7-14/h3-9,12,17,19H,10-11H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1