N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-(4-nitroanilino)butanamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-(4-nitroanilino)butanamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-(4-nitroanilino)butanamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-4-(4-nitroanilino)butyramide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-3-28-20-12-15-11-14(2)29-19(15)13-18(20)23-21(25)5-4-10-22-16-6-8-17(9-7-16)24(26)27/h6-9,12-14,22H,3-5,10-11H2,1-2H3,(H,23,25)/t14-/m0/s1