3-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoic acid Openeye Name: 3-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoic acid CAS Name: 3-methyl-2-[[(3-nitroanilino)-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoic acid Traditional Name: 3-methyl-2-[(3-nitrophenyl)carbamoylamino]valeric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-3-8(2)11(12(17)18)15-13(19)14-9-5-4-6-10(7-9)16(20)21/h4-8,11H,3H2,1-2H3,(H,17,18)(H2,14,15,19)