methyl 3-[3-(dimethylamino)propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[3-(dimethylamino)propylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[3-(dimethylamino)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(dimethylamino)propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(dimethylamino)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-(dimethylamino)propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-16(2)6-4-5-15-13(18)10-7-11(14(19)22-3)9-12(8-10)17(20)21/h7-9H,4-6H2,1-3H3,(H,15,18)