N-[(2S)-2-(3-methylpyridin-2-yl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-2-(3-methylpyridin-2-yl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]-4-nitro-benzamide Openeye Name: N-[(2S)-2-(3-methyl-2-pyridyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitro-benzamide CAS Name: N-[(2S)-2-(3-methyl-2-pyridinyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide IUPAC Name: N-[(2S)-2-(3-methylpyridin-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide Traditional Name: N-[(2S)-4-keto-2-(3-methyl-2-pyridyl)-1,2-dihydroquinazolin-3-yl]-4-nitro-benzamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4/c1-13-5-4-12-22-18(13)19-23-17-7-3-2-6-16(17)21(28)25(19)24-20(27)14-8-10-15(11-9-14)26(29)30/h2-12,19,23H,1H3,(H,24,27)/t19-/m0/s1