2-[cyclopropylmethyl-(2-methyl-4-nitro-phenyl)amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl-(2-methyl-4-nitro-phenyl)amino]ethanoic acid Openeye Name: 2-[N-(cyclopropylmethyl)-2-methyl-4-nitro-anilino]acetic acid CAS Name: 2-[N-(cyclopropylmethyl)-2-methyl-4-nitroanilino]acetic acid IUPAC Name: 2-[N-(cyclopropylmethyl)-2-methyl-4-nitroanilino]acetic acid Traditional Name: 2-[N-(cyclopropylmethyl)-2-methyl-4-nitro-anilino]acetic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N(CC2CC2)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N(CC2CC2)CC(=O)O

InChI

InChI=1S/C13H16N2O4/c1-9-6-11(15(18)19)4-5-12(9)14(8-13(16)17)7-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3,(H,16,17)