methyl 3-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-methyl-2-phenyl-3-pyrazolyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-methyl-2-phenylpyrazol-3-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O5/c1-12-8-17(22(21-12)15-6-4-3-5-7-15)20-18(24)13-9-14(19(25)28-2)11-16(10-13)23(26)27/h3-11H,1-2H3,(H,20,24)