2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-oxidanylidenebenzo[f]chromene-2-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-oxidanylidenebenzo[f]chromene-2-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate CAS Name: 3-oxo-2-benzo[f][1]benzopyrancarboxylic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3-oxobenzo[f]chromene-2-carboxylate Traditional Name: 3-ketobenzo[f]chromene-2-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C20H15N3O6 MolecularWeight: 393.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6/c1-12-21-11-18(23(26)27)22(12)8-9-28-19(24)16-10-15-14-5-3-2-4-13(14)6-7-17(15)29-20(16)25/h2-7,10-11H,8-9H2,1H3