[2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-[methyl(o-anisyl)amino]ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OC)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1OC)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-23(12-15-5-3-4-6-19(15)29-2)20(25)13-30-21(26)14-7-10-17(22-16-8-9-16)18(11-14)24(27)28/h3-7,10-11,16,22H,8-9,12-13H2,1-2H3