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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(pentylamino)butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-4-oxo-2-(pentylamino)butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(pentylamino)butanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(pentylamino)butanoic acid Traditional Name: 2-(amylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CCCCCNC(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)O

InChI

InChI=1S/C16H23N3O6/c1-3-4-5-8-17-13(16(21)22)10-15(20)18-12-9-11(19(23)24)6-7-14(12)25-2/h6-7,9,13,17H,3-5,8,10H2,1-2H3,(H,18,20)(H,21,22)