2-[(4-methoxy-3-nitro-phenyl)methylcarbamoylamino]propanoic acid

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylcarbamoylamino]propanoic acid Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylcarbamoylamino]propanoic acid CAS Name: 2-[[[(4-methoxy-3-nitrophenyl)methylamino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylcarbamoylamino]propanoic acid Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)carbamoylamino]propionic acid Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)NCC1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC(=O)NCC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-7(11(16)17)14-12(18)13-6-8-3-4-10(21-2)9(5-8)15(19)20/h3-5,7H,6H2,1-2H3,(H,16,17)(H2,13,14,18)