9-ethyl-8-nitro-1-oxidanylidene-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid

Systemtic Name: 9-ethyl-8-nitro-1-oxidanylidene-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid Openeye Name: 9-ethyl-8-nitro-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid CAS Name: 9-ethyl-8-nitro-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid IUPAC Name: 9-ethyl-8-nitro-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid Traditional Name: 9-ethyl-1-keto-8-nitro-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1[N+](=O)[O-])OCC3=NC=C(C(=O)N32)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1[N+](=O)[O-])OCC3=NC=C(C(=O)N32)C(=O)O

InChI

InChI=1S/C14H11N3O6/c1-2-7-3-10-11(4-9(7)17(21)22)23-6-12-15-5-8(14(19)20)13(18)16(10)12/h3-5H,2,6H2,1H3,(H,19,20)