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

Systemtic Name: [(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]-(2-pyridylmethyl)ammonium CAS Name: [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]-(2-pyridinylmethyl)ammonium IUPAC Name: [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium Traditional Name: [(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]-(2-pyridylmethyl)ammonium Formula: C21H21N4O3+ MolecularWeight: 377.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3/c1-15-10-11-18(19(13-15)25(27)28)24-21(26)20(16-7-3-2-4-8-16)23-14-17-9-5-6-12-22-17/h2-13,20,23H,14H2,1H3,(H,24,26)/p+1/t20-/m0/s1