ethyl 3-(2-methoxyphenyl)-2-[4-[(2-nitrooxyethanoylamino)carbamoyl]phenyl]-5-oxidanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(2-methoxyphenyl)-2-[4-[(2-nitrooxyethanoylamino)carbamoyl]phenyl]-5-oxidanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-(2-methoxyphenyl)-2-[4-[[(2-nitrooxyacetyl)amino]carbamoyl]phenyl]-5-oxo-1H-pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-2-[4-[[(2-nitrooxy-1-oxoethyl)hydrazo]-oxomethyl]phenyl]-5-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyphenyl)-2-[4-[[(2-nitrooxyacetyl)amino]carbamoyl]phenyl]-5-oxo-1H-pyrazole-4-carboxylate Traditional Name: 3-keto-5-(2-methoxyphenyl)-1-[4-[[(2-nitrooxyacetyl)amino]carbamoyl]phenyl]-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C22H21N5O9 MolecularWeight: 499.43024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)NNC(=O)CO[N+](=O)[O-])C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)NNC(=O)CO[N+](=O)[O-])C3=CC=CC=C3OC

InChI

InChI=1S/C22H21N5O9/c1-3-35-22(31)18-19(15-6-4-5-7-16(15)34-2)26(25-21(18)30)14-10-8-13(9-11-14)20(29)24-23-17(28)12-36-27(32)33/h4-11H,3,12H2,1-2H3,(H,23,28)(H,24,29)(H,25,30)