ethoxycarbonyl-[4-[(7-nitro-4-oxidanylidene-quinazolin-3-yl)methyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium

Systemtic Name: ethoxycarbonyl-[4-[(7-nitro-4-oxidanylidene-quinazolin-3-yl)methyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: ethoxycarbonyl-[2-hydroxy-4-[(7-nitro-4-oxo-quinazolin-3-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: ethoxycarbonyl-[2-hydroxy-4-[(7-nitro-4-oxo-3-quinazolinyl)methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: ethoxycarbonyl-[2-hydroxy-4-[(7-nitro-4-oxoquinazolin-3-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: carbethoxy-[2-hydroxy-4-[(4-keto-7-nitro-quinazolin-3-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C21H21N4O7+ MolecularWeight: 441.41404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7/c1-2-31-21(28)23-13-3-5-15-12(7-19(26)32-18(15)8-13)10-24-11-22-17-9-14(25(29)30)4-6-16(17)20(24)27/h4,6-7,9,11,18,26H,2-3,5,8,10H2,1H3/p+1