2-[[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitro-phenyl]amino]propanoic acid

Systemtic Name: 2-[[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitro-phenyl]amino]propanoic acid Openeye Name: 2-[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitro-anilino]propanoic acid CAS Name: 2-[4-[(2-dimethylaminoethylamino)-oxomethyl]-2,6-dinitroanilino]propanoic acid IUPAC Name: 2-[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitroanilino]propanoic acid Traditional Name: 2-[4-(2-dimethylaminoethylcarbamoyl)-2,6-dinitro-anilino]propionic acid Formula: C14H19N5O7 MolecularWeight: 369.32996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O7/c1-8(14(21)22)16-12-10(18(23)24)6-9(7-11(12)19(25)26)13(20)15-4-5-17(2)3/h6-8,16H,4-5H2,1-3H3,(H,15,20)(H,21,22)