(E)-2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-3-(3-nitrophenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-3-(3-nitrophenyl)prop-2-enoic acid Openeye Name: (E)-2-(2-methyl-4-oxo-quinazolin-3-yl)-3-(3-nitrophenyl)prop-2-enoic acid CAS Name: (E)-2-(2-methyl-4-oxo-3-quinazolinyl)-3-(3-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-2-(2-methyl-4-oxoquinazolin-3-yl)-3-(3-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-(4-keto-2-methyl-quinazolin-3-yl)-3-(3-nitrophenyl)acrylic acid Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C18H13N3O5/c1-11-19-15-8-3-2-7-14(15)17(22)20(11)16(18(23)24)10-12-5-4-6-13(9-12)21(25)26/h2-10H,1H3,(H,23,24)/b16-10+