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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-phenylethyl]azanium Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-[(1S)-1-phenylethyl]ammonium CAS Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-[(1S)-1-phenylethyl]ammonium Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c1-12-8-9-15(20(22)23)10-16(12)19-17(21)11-18-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1