N-[(1R)-1-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(1R)-1-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(1R)-1-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(1R)-1-[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(1R)-1-[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]ethyl]-4-methyl-3-nitro-benzamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C2=NC3=CC=CC=C3C(=O)N2CCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H](C)C2=NC3=CC=CC=C3C(=O)N2CCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-13-8-9-15(12-18(13)25(28)29)20(26)22-14(2)19-23-17-7-5-4-6-16(17)21(27)24(19)10-11-30-3/h4-9,12,14H,10-11H2,1-3H3,(H,22,26)/t14-/m1/s1