(3-methoxycarbonylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (3-carbomethoxybenzyl) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-19(2)15-8-7-14(10-16(15)20(23)24)18(22)26-11-12-5-4-6-13(9-12)17(21)25-3/h4-10H,11H2,1-3H3