3,3-dimethyl-2-[(4-nitrophenyl)carbamoylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[(4-nitrophenyl)carbamoylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(4-nitrophenyl)carbamoylamino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(4-nitroanilino)-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(4-nitrophenyl)carbamoylamino]butanoic acid Traditional Name: 3,3-dimethyl-2-[(4-nitrophenyl)carbamoylamino]butyric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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