methyl 2-[4-[2-[(5-bromanyl-4,6-dimethyl-3-nitro-pyridin-2-yl)carbamoyl]butyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[2-[(5-bromanyl-4,6-dimethyl-3-nitro-pyridin-2-yl)carbamoyl]butyl]phenyl]benzoate Openeye Name: methyl 2-[4-[2-[(5-bromo-4,6-dimethyl-3-nitro-2-pyridyl)carbamoyl]butyl]phenyl]benzoate CAS Name: 2-[4-[2-[[(5-bromo-4,6-dimethyl-3-nitro-2-pyridinyl)amino]-oxomethyl]butyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(5-bromo-4,6-dimethyl-3-nitropyridin-2-yl)carbamoyl]butyl]phenyl]benzoate Traditional Name: 2-[4-[2-[(5-bromo-4,6-dimethyl-3-nitro-2-pyridyl)carbamoyl]butyl]phenyl]benzoic acid methyl ester Formula: C26H26BrN3O5 MolecularWeight: 540.40574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)NC3=NC(=C(C(=C3[N+](=O)[O-])C)Br)C

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)NC3=NC(=C(C(=C3[N+](=O)[O-])C)Br)C

InChI

InChI=1S/C26H26BrN3O5/c1-5-18(25(31)29-24-23(30(33)34)15(2)22(27)16(3)28-24)14-17-10-12-19(13-11-17)20-8-6-7-9-21(20)26(32)35-4/h6-13,18H,5,14H2,1-4H3,(H,28,29,31)