8-butyl-6-nitro-7-oxidanyl-2-oxidanylidene-N-[3-(5H-1,2,3,4-tetrazol-5-yl)phenyl]chromene-3-carboxamide

Systemtic Name: 8-butyl-6-nitro-7-oxidanyl-2-oxidanylidene-N-[3-(5H-1,2,3,4-tetrazol-5-yl)phenyl]chromene-3-carboxamide Openeye Name: 8-butyl-7-hydroxy-6-nitro-2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]chromene-3-carboxamide CAS Name: 8-butyl-7-hydroxy-6-nitro-2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1-benzopyran-3-carboxamide IUPAC Name: 8-butyl-7-hydroxy-6-nitro-2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]chromene-3-carboxamide Traditional Name: 8-butyl-7-hydroxy-2-keto-6-nitro-N-[3-(5H-tetrazol-5-yl)phenyl]chromene-3-carboxamide Formula: C21H18N6O6 MolecularWeight: 450.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC3=CC=CC(=C3)C4N=NN=N4

Isomeric SMILES

CCCCC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC3=CC=CC(=C3)C4N=NN=N4

InChI

InChI=1S/C21H18N6O6/c1-2-3-7-14-17(28)16(27(31)32)10-12-9-15(21(30)33-18(12)14)20(29)22-13-6-4-5-11(8-13)19-23-25-26-24-19/h4-6,8-10,19,28H,2-3,7H2,1H3,(H,22,29)