5-bromanyl-2-methoxy-benzaldehyde; 2-[2-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxy-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate

Systemtic Name: 5-bromanyl-2-methoxy-benzaldehyde; 2-[2-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxy-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate Openeye Name: 5-bromo-2-methoxy-benzaldehyde; 2-[2-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxy-2-oxo-ethyl]-2-hydroxy-butanedioate CAS Name: 5-bromo-2-methoxybenzaldehyde; 2-[2-[[1-[2-(dimethylamino)propyl]-2-pyrrolyl]oxy]-2-oxoethyl]-2-hydroxybutanedioate IUPAC Name: 5-bromo-2-methoxybenzaldehyde; 2-[2-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxy-2-oxoethyl]-2-hydroxybutanedioate Traditional Name: 5-bromo-2-methoxy-benzaldehyde; 2-[2-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxy-2-keto-ethyl]-2-hydroxy-succinate Formula: C23H27BrN2O9-2 MolecularWeight: 555.37248

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=C1OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O)N(C)C.COC1=C(C=C(C=C1)Br)C=O

Isomeric SMILES

CC(CN1C=CC=C1OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O)N(C)C.COC1=C(C=C(C=C1)Br)C=O

InChI

InChI=1S/C15H22N2O7.C8H7BrO2/c1-10(16(2)3)9-17-6-4-5-11(17)24-13(20)8-15(23,14(21)22)7-12(18)19;1-11-8-3-2-7(9)4-6(8)5-10/h4-6,10,23H,7-9H2,1-3H3,(H,18,19)(H,21,22);2-5H,1H3/p-2