methyl 2-[4-[2-[(5-bromanyl-4-methyl-3-nitro-pyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O5/c1-4-7-19(25(31)29-24-23(30(33)34)16(2)22(27)15-28-24)14-17-10-12-18(13-11-17)20-8-5-6-9-21(20)26(32)35-3/h5-6,8-13,15,19H,4,7,14H2,1-3H3,(H,28,29,31)