6-azanyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxidanylidene-1-phenyl-pyrimidine-4-carbonitrile

Systemtic Name: 6-azanyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxidanylidene-1-phenyl-pyrimidine-4-carbonitrile Openeye Name: 6-amino-5-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-oxo-1-phenyl-pyrimidine-4-carbonitrile CAS Name: 6-amino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxo-1-phenyl-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile Traditional Name: 6-amino-2-keto-5-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1-phenyl-pyrimidine-4-carbonitrile Formula: C19H12N6O5 MolecularWeight: 404.33578

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NC3=C(N(C(=O)N=C3C#N)C4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=NC3=C(N(C(=O)N=C3C#N)C4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C19H12N6O5/c20-8-13-17(18(21)24(19(26)23-13)12-4-2-1-3-5-12)22-9-11-6-15-16(30-10-29-15)7-14(11)25(27)28/h1-7,9H,10,21H2