[5-(6-methyl-2-oxidanylidene-1,4-benzoxazin-3-yl)-3-nitro-2-propanoyloxy-phenyl] propanoate

Systemtic Name: [5-(6-methyl-2-oxidanylidene-1,4-benzoxazin-3-yl)-3-nitro-2-propanoyloxy-phenyl] propanoate Openeye Name: [5-(6-methyl-2-oxo-1,4-benzoxazin-3-yl)-3-nitro-2-propanoyloxy-phenyl] propanoate CAS Name: propanoic acid [5-(6-methyl-2-oxo-1,4-benzoxazin-3-yl)-3-nitro-2-(1-oxopropoxy)phenyl] ester IUPAC Name: [5-(6-methyl-2-oxo-1,4-benzoxazin-3-yl)-3-nitro-2-propanoyloxyphenyl] propanoate Traditional Name: propionic acid [5-(2-keto-6-methyl-1,4-benzoxazin-3-yl)-3-nitro-2-propionyloxy-phenyl] ester Formula: C21H18N2O8 MolecularWeight: 426.37622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C2=NC3=C(C=CC(=C3)C)OC2=O

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C2=NC3=C(C=CC(=C3)C)OC2=O

InChI

InChI=1S/C21H18N2O8/c1-4-17(24)29-16-10-12(9-14(23(27)28)20(16)31-18(25)5-2)19-21(26)30-15-7-6-11(3)8-13(15)22-19/h6-10H,4-5H2,1-3H3