3-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-7-nitro-quinazolin-4-one CAS Name: 3-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-7-nitroquinazolin-4-one Traditional Name: 3-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-7-nitro-quinazolin-4-one Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H19N3O5/c1-12(2)17-9-18-14(7-21(26)30-20(18)6-13(17)3)10-24-11-23-19-8-15(25(28)29)4-5-16(19)22(24)27/h4-9,11-12H,10H2,1-3H3