3-[(4-nitrophenyl)carbamoylamino]propane-1,1,3-tricarboxylic acid

Systemtic Name: 3-[(4-nitrophenyl)carbamoylamino]propane-1,1,3-tricarboxylic acid Openeye Name: 3-[(4-nitrophenyl)carbamoylamino]propane-1,1,3-tricarboxylic acid CAS Name: 3-[[(4-nitroanilino)-oxomethyl]amino]propane-1,1,3-tricarboxylic acid IUPAC Name: 3-[(4-nitrophenyl)carbamoylamino]propane-1,1,3-tricarboxylic acid Traditional Name: 3-[(4-nitrophenyl)carbamoylamino]propane-1,1,3-tricarboxylic acid Formula: C13H13N3O9 MolecularWeight: 355.25702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC(CC(C(=O)O)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC(CC(C(=O)O)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O9/c17-10(18)8(11(19)20)5-9(12(21)22)15-13(23)14-6-1-3-7(4-2-6)16(24)25/h1-4,8-9H,5H2,(H,17,18)(H,19,20)(H,21,22)(H2,14,15,23)