(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C23H18N2O8S MolecularWeight: 482.46262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O8S/c1-34(30,31)16-7-8-18(19(11-16)25(28)29)24-12-22(27)32-13-15-10-21(26)33-20-9-6-14-4-2-3-5-17(14)23(15)20/h2-11,24H,12-13H2,1H3