[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)[NH2+]CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)[NH2+]CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O3/c1-12(2)18(13-6-4-3-5-7-13)20-11-17(23)21-15-10-14(19)8-9-16(15)22(24)25/h3-10,12,18,20H,11H2,1-2H3,(H,21,23)/p+1/t18-/m1/s1