5-nitro-2-(phenylmethyl)-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 5-nitro-2-(phenylmethyl)-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 2-benzyl-N-[(E)-(4-isopropoxyphenyl)methyleneamino]-5-nitro-pyrazole-3-carboxamide CAS Name: 5-nitro-2-(phenylmethyl)-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-5-nitro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 2-benzyl-N-[(E)-(4-isopropoxybenzylidene)amino]-5-nitro-pyrazole-3-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-15(2)30-18-10-8-16(9-11-18)13-22-23-21(27)19-12-20(26(28)29)24-25(19)14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,23,27)/b22-13+