1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-(5-nitro-2-thienyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-4-nitro-N-[(E)-(5-nitro-2-thienyl)methyleneamino]pyrazole-3-carboxamide Formula: C16H11BrN6O5S MolecularWeight: 479.26474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)NN=CC3=CC=C(S3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)N/N=C/C3=CC=C(S3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN6O5S/c17-11-3-1-2-10(6-11)8-21-9-13(22(25)26)15(20-21)16(24)19-18-7-12-4-5-14(29-12)23(27)28/h1-7,9H,8H2,(H,19,24)/b18-7+