methyl 4-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O6/c1-13-10-18(23(22-13)15-6-4-3-5-7-15)21-19(25)12-30-17-9-8-14(20(26)29-2)11-16(17)24(27)28/h3-11H,12H2,1-2H3,(H,21,25)