N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-3-(2-nitroanilino)propanamide CAS Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[2-(2,2-dimethylcoumaran-7-yl)oxyethyl]-3-(2-nitroanilino)propionamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCCNC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCCNC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5/c1-21(2)14-15-6-5-9-18(20(15)29-21)28-13-12-23-19(25)10-11-22-16-7-3-4-8-17(16)24(26)27/h3-9,22H,10-14H2,1-2H3,(H,23,25)