N-[4-[butyl(furan-2-ylmethyl)amino]-3-pyrrolidin-1-ylcarbonyl-phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-pyrrolidin-1-ylcarbonyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[butyl(2-furylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[butyl(2-furanylmethyl)amino]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[butyl(2-furfuryl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-3,5-dinitro-benzamide Formula: C27H29N5O7 MolecularWeight: 535.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N4CCCC4

Isomeric SMILES

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N4CCCC4

InChI

InChI=1S/C27H29N5O7/c1-2-3-10-30(18-23-7-6-13-39-23)25-9-8-20(16-24(25)27(34)29-11-4-5-12-29)28-26(33)19-14-21(31(35)36)17-22(15-19)32(37)38/h6-9,13-17H,2-5,10-12,18H2,1H3,(H,28,33)