(2S)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-methyl-2-(3-nitrophenyl)-1H-quinazolin-4-one

Systemtic Name: (2S)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-methyl-2-(3-nitrophenyl)-1H-quinazolin-4-one Openeye Name: (2S)-3-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-2-methyl-2-(3-nitrophenyl)-1H-quinazolin-4-one CAS Name: (2S)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-methyl-2-(3-nitrophenyl)-1H-quinazolin-4-one IUPAC Name: (2S)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-methyl-2-(3-nitrophenyl)-1H-quinazolin-4-one Traditional Name: (2S)-2-methyl-2-(3-nitrophenyl)-3-[(Z)-piperonylideneamino]-1H-quinazolin-4-one Formula: C23H18N4O5 MolecularWeight: 430.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC2=CC=CC=C2C(=O)N1N=CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C[C@@]1(NC2=CC=CC=C2C(=O)N1/N=C\C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5/c1-23(16-5-4-6-17(12-16)27(29)30)25-19-8-3-2-7-18(19)22(28)26(23)24-13-15-9-10-20-21(11-15)32-14-31-20/h2-13,25H,14H2,1H3/b24-13-/t23-/m0/s1