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

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-13(2)20(15-8-6-5-7-9-15)21-12-19(24)22-16-11-18(27-4)17(23(25)26)10-14(16)3/h5-11,13,20-21H,12H2,1-4H3,(H,22,24)/p+1/t20-/m0/s1