methyl 3-[(4-dimethylaminophenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-dimethylaminophenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-dimethylaminophenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(dimethylamino)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-dimethylaminophenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-dimethylaminophenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-19(2)14-6-4-13(5-7-14)18-16(21)11-8-12(17(22)25-3)10-15(9-11)20(23)24/h4-10H,1-3H3,(H,18,21)