4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(oxolan-2-ylmethylamino)butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(oxolan-2-ylmethylamino)butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-4-oxo-2-(tetrahydrofuran-2-ylmethylamino)butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(2-oxolanylmethylamino)butanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)-2-(tetrahydrofurfurylamino)butyric acid Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC2CCCO2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC2CCCO2

InChI

InChI=1S/C16H21N3O7/c1-25-14-5-4-10(19(23)24)7-12(14)18-15(20)8-13(16(21)22)17-9-11-3-2-6-26-11/h4-5,7,11,13,17H,2-3,6,8-9H2,1H3,(H,18,20)(H,21,22)