3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl 4-methyl-3-nitro-benzoate

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl 4-methyl-3-nitro-benzoate Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)propyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 3-(2-methyl-4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 3-(4-keto-2-methyl-quinazolin-3-yl)propyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCN2C(=NC3=CC=CC=C3C2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCN2C(=NC3=CC=CC=C3C2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-13-8-9-15(12-18(13)23(26)27)20(25)28-11-5-10-22-14(2)21-17-7-4-3-6-16(17)19(22)24/h3-4,6-9,12H,5,10-11H2,1-2H3