methyl 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-nitro-phenoxy]ethanoate

Systemtic Name: methyl 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-nitro-phenoxy]ethanoate Openeye Name: methyl 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetate CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetate Traditional Name: 2-[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetic acid methyl ester Formula: C19H14BrN3O7 MolecularWeight: 476.23436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H14BrN3O7/c1-29-16(24)10-30-17-11(7-12(20)9-15(17)23(27)28)8-14-18(25)21-22(19(14)26)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,21,25)