methyl 2-[4-[[[3-(butanoylamino)pyridin-2-yl]amino]methyl]phenyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[4-[[[3-(butanoylamino)pyridin-2-yl]amino]methyl]phenyl]-3-nitro-benzoate Openeye Name: methyl 2-[4-[[[3-(butanoylamino)-2-pyridyl]amino]methyl]phenyl]-3-nitro-benzoate CAS Name: 3-nitro-2-[4-[[[3-(1-oxobutylamino)-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-(butanoylamino)pyridin-2-yl]amino]methyl]phenyl]-3-nitrobenzoate Traditional Name: 2-[4-[[(3-butyramido-2-pyridyl)amino]methyl]phenyl]-3-nitro-benzoic acid methyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(N=CC=C1)NCC2=CC=C(C=C2)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=C(N=CC=C1)NCC2=CC=C(C=C2)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C24H24N4O5/c1-3-6-21(29)27-19-8-5-14-25-23(19)26-15-16-10-12-17(13-11-16)22-18(24(30)33-2)7-4-9-20(22)28(31)32/h4-5,7-14H,3,6,15H2,1-2H3,(H,25,26)(H,27,29)