3-(4-chloranyl-3-nitro-phenoxy)-N-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine; ethanedioic acid

Systemtic Name: 3-(4-chloranyl-3-nitro-phenoxy)-N-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine; ethanedioic acid Openeye Name: 3-(4-chloro-3-nitro-phenoxy)-N-[(7-methoxychroman-2-yl)methyl]propan-1-amine; oxalic acid CAS Name: 3-(4-chloro-3-nitrophenoxy)-N-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-1-propanamine; oxalic acid IUPAC Name: 3-(4-chloro-3-nitrophenoxy)-N-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine; oxalic acid Traditional Name: 3-(4-chloro-3-nitro-phenoxy)propyl-[(7-methoxychroman-2-yl)methyl]amine; oxalic acid Formula: C22H25ClN2O9 MolecularWeight: 496.8949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(O2)CNCCCOC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=C1.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC2=C(CCC(O2)CNCCCOC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23ClN2O5.C2H2O4/c1-26-15-5-3-14-4-6-17(28-20(14)12-15)13-22-9-2-10-27-16-7-8-18(21)19(11-16)23(24)25;3-1(4)2(5)6/h3,5,7-8,11-12,17,22H,2,4,6,9-10,13H2,1H3;(H,3,4)(H,5,6)