3-[(3-nitrophenyl)carbamoylamino]butanoic acid

Systemtic Name: 3-[(3-nitrophenyl)carbamoylamino]butanoic acid Openeye Name: 3-[(3-nitrophenyl)carbamoylamino]butanoic acid CAS Name: 3-[[(3-nitroanilino)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(3-nitrophenyl)carbamoylamino]butanoic acid Traditional Name: 3-[(3-nitrophenyl)carbamoylamino]butyric acid Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O5/c1-7(5-10(15)16)12-11(17)13-8-3-2-4-9(6-8)14(18)19/h2-4,6-7H,5H2,1H3,(H,15,16)(H2,12,13,17)