ethyl N-[4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-oxidanylidene-chromen-7-yl]carbamate

Systemtic Name: ethyl N-[4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C21H15N3O8 MolecularWeight: 437.3591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O8/c1-2-31-21(28)22-12-3-5-14-11(7-18(25)32-17(14)8-12)10-23-19(26)15-6-4-13(24(29)30)9-16(15)20(23)27/h3-9H,2,10H2,1H3,(H,22,28)