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

Systemtic Name: ethyl 2-[4-[(2-chloranylethanoylamino)carbamoyl]phenyl]-3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-3-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylate CAS Name: 2-[4-[[(2-chloro-1-oxoethyl)hydrazo]-oxomethyl]phenyl]-3-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-3-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylate Traditional Name: 1-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-3-keto-5-(4-nitrophenyl)-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C21H18ClN5O7 MolecularWeight: 487.84992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O7/c1-2-34-21(31)17-18(12-3-9-15(10-4-12)27(32)33)26(25-20(17)30)14-7-5-13(6-8-14)19(29)24-23-16(28)11-22/h3-10H,2,11H2,1H3,(H,23,28)(H,24,29)(H,25,30)