methyl 4-(2-dimethylaminoethylamino)-3-nitro-benzoate

Systemtic Name: methyl 4-(2-dimethylaminoethylamino)-3-nitro-benzoate Openeye Name: methyl 4-(2-dimethylaminoethylamino)-3-nitro-benzoate CAS Name: 4-(2-dimethylaminoethylamino)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-dimethylaminoethylamino)-3-nitrobenzoate Traditional Name: 4-(2-dimethylaminoethylamino)-3-nitro-benzoic acid methyl ester Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4/c1-14(2)7-6-13-10-5-4-9(12(16)19-3)8-11(10)15(17)18/h4-5,8,13H,6-7H2,1-3H3