6-nitro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one

Systemtic Name: 6-nitro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one Openeye Name: 3-[(4-isopropylphenyl)methyl]-6-nitro-quinazolin-4-one CAS Name: 6-nitro-3-[(4-propan-2-ylphenyl)methyl]-4-quinazolinone IUPAC Name: 6-nitro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one Traditional Name: 3-(4-isopropylbenzyl)-6-nitro-quinazolin-4-one Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3/c1-12(2)14-5-3-13(4-6-14)10-20-11-19-17-8-7-15(21(23)24)9-16(17)18(20)22/h3-9,11-12H,10H2,1-2H3