3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)propyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid 3-(2-methyl-4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)propyl (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid 3-(4-keto-2-methyl-quinazolin-3-yl)propyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCOC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCOC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-15-22-19-9-3-2-8-18(19)21(26)23(15)12-5-13-29-20(25)11-10-16-6-4-7-17(14-16)24(27)28/h2-4,6-11,14H,5,12-13H2,1H3/b11-10+