2-methyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinazolin-4-one

Systemtic Name: 2-methyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinazolin-4-one Openeye Name: 2-methyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]quinazolin-4-one CAS Name: 2-methyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-quinazolinone IUPAC Name: 2-methyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinazolin-4-one Traditional Name: 2-methyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]quinazolin-4-one Formula: C17H12N4O5 MolecularWeight: 352.30098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C17H12N4O5/c1-10-19-13-5-3-2-4-12(13)17(22)20(10)18-8-11-6-15-16(26-9-25-15)7-14(11)21(23)24/h2-8H,9H2,1H3/b18-8+