N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-nitro-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-nitro-4-pyrazol-1-yl-benzamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-3-nitro-4-pyrazol-1-yl-benzamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-3-nitro-4-(1-pyrazolyl)benzamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-nitro-4-pyrazol-1-ylbenzamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-3-nitro-4-pyrazol-1-yl-benzamide Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC(=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC(=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4/c22-20(23)13-3-5-19-16(10-13)15(12-31-19)6-8-24-21(28)14-2-4-17(18(11-14)27(29)30)26-9-1-7-25-26/h1-5,7,9-11,15H,6,8,12H2,(H3,22,23)(H,24,28)