ethyl 5-azanyl-3-[(4-bromophenyl)sulfonylamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(4-bromophenyl)sulfonylamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-[(4-bromophenyl)sulfonylamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-[(4-bromophenyl)sulfonylamino]-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-bromophenyl)sulfonylamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(brosylamino)-1-(4-nitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H16BrN5O6S MolecularWeight: 510.31854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H16BrN5O6S/c1-2-30-18(25)15-16(20)23(12-5-7-13(8-6-12)24(26)27)21-17(15)22-31(28,29)14-9-3-11(19)4-10-14/h3-10H,2,20H2,1H3,(H,21,22)