[[azanyl-(3,4-dimethoxyphenyl)methyl]amino] 2-methyl-3-nitro-benzoate

Systemtic Name: [[azanyl-(3,4-dimethoxyphenyl)methyl]amino] 2-methyl-3-nitro-benzoate Openeye Name: [[amino-(3,4-dimethoxyphenyl)methyl]amino] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [[amino-(3,4-dimethoxyphenyl)methyl]amino] ester IUPAC Name: [[amino-(3,4-dimethoxyphenyl)methyl]amino] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [[amino-(3,4-dimethoxyphenyl)methyl]amino] ester Formula: C17H18N3O6- MolecularWeight: 360.34132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)ON[C-](C2=CC(=C(C=C2)OC)OC)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)ON[C-](C2=CC(=C(C=C2)OC)OC)N

InChI

InChI=1S/C17H18N3O6/c1-10-12(5-4-6-13(10)20(22)23)17(21)26-19-16(18)11-7-8-14(24-2)15(9-11)25-3/h4-9,19H,18H2,1-3H3/q-1