[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-13(2)19(16-8-6-5-7-9-16)21-12-18(24)22-20-15(4)14(3)10-11-17(20)23(25)26/h5-11,13,19,21H,12H2,1-4H3,(H,22,24)/p+1/t19-/m0/s1