2-[2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl]-4-methyl-benzoic acid

Systemtic Name: 2-[2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl]-4-methyl-benzoic acid Openeye Name: 2-[2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl]-4-methyl-benzoic acid CAS Name: 2-[2-(4-carbamoyl-3-nitro-1-pyrazolyl)ethyl]-4-methylbenzoic acid IUPAC Name: 2-[2-(4-carbamoyl-3-nitropyrazol-1-yl)ethyl]-4-methylbenzoic acid Traditional Name: 2-[2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl]-4-methyl-benzoic acid Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)CCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)CCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C14H14N4O5/c1-8-2-3-10(14(20)21)9(6-8)4-5-17-7-11(12(15)19)13(16-17)18(22)23/h2-3,6-7H,4-5H2,1H3,(H2,15,19)(H,20,21)