methyl 6-[3-(4-bromanyl-3-methoxy-2,6-dinitro-5-oxidanyl-phenyl)prop-2-enoyl]-3-methyl-5-nitro-pyridine-2-carboxylate

Systemtic Name: methyl 6-[3-(4-bromanyl-3-methoxy-2,6-dinitro-5-oxidanyl-phenyl)prop-2-enoyl]-3-methyl-5-nitro-pyridine-2-carboxylate Openeye Name: methyl 6-[3-(4-bromo-3-hydroxy-5-methoxy-2,6-dinitro-phenyl)prop-2-enoyl]-3-methyl-5-nitro-pyridine-2-carboxylate CAS Name: 6-[3-(4-bromo-3-hydroxy-5-methoxy-2,6-dinitrophenyl)-1-oxoprop-2-enyl]-3-methyl-5-nitro-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(4-bromo-3-hydroxy-5-methoxy-2,6-dinitrophenyl)prop-2-enoyl]-3-methyl-5-nitropyridine-2-carboxylate Traditional Name: 6-[3-(4-bromo-3-hydroxy-5-methoxy-2,6-dinitro-phenyl)acryloyl]-3-methyl-5-nitro-picolinic acid methyl ester Formula: C18H13BrN4O11 MolecularWeight: 541.22002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C(=O)OC)C(=O)C=CC2=C(C(=C(C(=C2[N+](=O)[O-])OC)Br)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N=C1C(=O)OC)C(=O)C=CC2=C(C(=C(C(=C2[N+](=O)[O-])OC)Br)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O11/c1-7-6-9(21(27)28)13(20-12(7)18(26)34-3)10(24)5-4-8-14(22(29)30)16(25)11(19)17(33-2)15(8)23(31)32/h4-6,25H,1-3H3