5-[4-(3-methanoyl-4-nitro-phenoxy)butanoyl-(phenylmethyl)amino]pentyl ethanoate

Systemtic Name: 5-[4-(3-methanoyl-4-nitro-phenoxy)butanoyl-(phenylmethyl)amino]pentyl ethanoate Openeye Name: 5-[benzyl-[4-(3-formyl-4-nitro-phenoxy)butanoyl]amino]pentyl acetate CAS Name: acetic acid 5-[[4-(3-formyl-4-nitrophenoxy)-1-oxobutyl]-(phenylmethyl)amino]pentyl ester IUPAC Name: 5-[benzyl-[4-(3-formyl-4-nitrophenoxy)butanoyl]amino]pentyl acetate Traditional Name: acetic acid 5-[benzyl-[4-(3-formyl-4-nitro-phenoxy)butanoyl]amino]pentyl ester Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCN(CC1=CC=CC=C1)C(=O)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CC(=O)OCCCCCN(CC1=CC=CC=C1)C(=O)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C25H30N2O7/c1-20(29)33-15-7-3-6-14-26(18-21-9-4-2-5-10-21)25(30)11-8-16-34-23-12-13-24(27(31)32)22(17-23)19-28/h2,4-5,9-10,12-13,17,19H,3,6-8,11,14-16,18H2,1H3