ethyl 5-(7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)pentanoate

Systemtic Name: ethyl 5-(7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)pentanoate Openeye Name: ethyl 5-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)pentanoate CAS Name: 5-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)pentanoate Traditional Name: 5-(3-keto-7-nitro-1,4-benzoxazin-4-yl)valeric acid ethyl ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=O)COC2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCN1C(=O)COC2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-2-22-15(19)5-3-4-8-16-12-7-6-11(17(20)21)9-13(12)23-10-14(16)18/h6-7,9H,2-5,8,10H2,1H3