[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-[(1R)-1-(1-naphthyl)ethyl]ammonium CAS Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-[(1R)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium Traditional Name: [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]-[(1R)-1-(1-naphthyl)ethyl]ammonium Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)[NH2+]CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)[NH2+]CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-14(17-9-5-7-15-6-3-4-8-18(15)17)22-13-21(25)23-19-11-10-16(28-2)12-20(19)24(26)27/h3-12,14,22H,13H2,1-2H3,(H,23,25)/p+1/t14-/m1/s1