3-(3-nitropyrazol-1-yl)-N-(4-oxidanylidenethieno[3,4-c]chromen-3-yl)propanamide

Systemtic Name: 3-(3-nitropyrazol-1-yl)-N-(4-oxidanylidenethieno[3,4-c]chromen-3-yl)propanamide Openeye Name: 3-(3-nitropyrazol-1-yl)-N-(4-oxothieno[3,4-c]chromen-3-yl)propanamide CAS Name: 3-(3-nitro-1-pyrazolyl)-N-(4-oxo-3-thieno[3,4-c][1]benzopyranyl)propanamide IUPAC Name: 3-(3-nitropyrazol-1-yl)-N-(4-oxothieno[3,4-c]chromen-3-yl)propanamide Traditional Name: N-(4-ketothieno[3,4-c]chromen-3-yl)-3-(3-nitropyrazol-1-yl)propionamide Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CSC(=C3C(=O)O2)NC(=O)CCN4C=CC(=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=CSC(=C3C(=O)O2)NC(=O)CCN4C=CC(=N4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5S/c22-14(6-8-20-7-5-13(19-20)21(24)25)18-16-15-11(9-27-16)10-3-1-2-4-12(10)26-17(15)23/h1-5,7,9H,6,8H2,(H,18,22)