sodium 7-methyl-10-nitro-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: sodium 7-methyl-10-nitro-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate Openeye Name: sodium 7-methyl-10-nitro-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylate CAS Name: sodium 7-methyl-10-nitro-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylate IUPAC Name: sodium 7-methyl-10-nitro-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate Traditional Name: sodium 4-keto-7-methyl-10-nitro-pyrimid[2,1-a]isoquinoline-3-carboxylate Formula: C14H8N3NaO5 MolecularWeight: 321.22019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC=C(C2=O)C(=O)[O-])C3=C1C=CC(=C3)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=CN2C(=NC=C(C2=O)C(=O)[O-])C3=C1C=CC(=C3)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C14H9N3O5.Na/c1-7-6-16-12(15-5-11(13(16)18)14(19)20)10-4-8(17(21)22)2-3-9(7)10;/h2-6H,1H3,(H,19,20);/q;+1/p-1