4-azanyl-2-(4-chloranyl-3-nitro-phenyl)chromeno[4,3-d]pyrimidin-5-one

Systemtic Name: 4-azanyl-2-(4-chloranyl-3-nitro-phenyl)chromeno[4,3-d]pyrimidin-5-one Openeye Name: 4-amino-2-(4-chloro-3-nitro-phenyl)chromeno[4,3-d]pyrimidin-5-one CAS Name: 4-amino-2-(4-chloro-3-nitrophenyl)-5-[1]benzopyrano[4,3-d]pyrimidinone IUPAC Name: 4-amino-2-(4-chloro-3-nitrophenyl)chromeno[4,3-d]pyrimidin-5-one Traditional Name: 4-amino-2-(4-chloro-3-nitro-phenyl)chromeno[4,3-d]pyrimidin-5-one Formula: C17H9ClN4O4 MolecularWeight: 368.73076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C(=NC(=N3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C(=O)O2

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C(=NC(=N3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C(=O)O2

InChI

InChI=1S/C17H9ClN4O4/c18-10-6-5-8(7-11(10)22(24)25)16-20-14-9-3-1-2-4-12(9)26-17(23)13(14)15(19)21-16/h1-7H,(H2,19,20,21)