[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

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