3-[(3-methyl-4-nitro-phenyl)amino]propanoic acid

Systemtic Name: 3-[(3-methyl-4-nitro-phenyl)amino]propanoic acid Openeye Name: 3-(3-methyl-4-nitro-anilino)propanoic acid CAS Name: 3-(3-methyl-4-nitroanilino)propanoic acid IUPAC Name: 3-(3-methyl-4-nitroanilino)propanoic acid Traditional Name: 3-(3-methyl-4-nitro-anilino)propionic acid Formula: C10H12N2O4 MolecularWeight: 224.21328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O4/c1-7-6-8(11-5-4-10(13)14)2-3-9(7)12(15)16/h2-3,6,11H,4-5H2,1H3,(H,13,14)