N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H18N6O5 MolecularWeight: 422.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N

InChI

InChI=1S/C20H18N6O5/c21-18(27)12-23-19(28)14-6-4-13(5-7-14)11-22-20(29)17-8-9-25(24-17)15-2-1-3-16(10-15)26(30)31/h1-10H,11-12H2,(H2,21,27)(H,22,29)(H,23,28)