[3-[(2,4-dinitrophenyl)-propyl-amino]-2-oxidanyl-propyl] 4-pyren-1-ylbutanoate

Systemtic Name: [3-[(2,4-dinitrophenyl)-propyl-amino]-2-oxidanyl-propyl] 4-pyren-1-ylbutanoate Openeye Name: [3-(2,4-dinitro-N-propyl-anilino)-2-hydroxy-propyl] 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid [3-(2,4-dinitro-N-propylanilino)-2-hydroxypropyl] ester IUPAC Name: [3-(2,4-dinitro-N-propylanilino)-2-hydroxypropyl] 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid [3-(2,4-dinitro-N-propyl-anilino)-2-hydroxy-propyl] ester Formula: C32H31N3O7 MolecularWeight: 569.60444

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(COC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(COC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C32H31N3O7/c1-2-17-33(28-16-14-25(34(38)39)18-29(28)35(40)41)19-26(36)20-42-30(37)8-4-5-21-9-10-24-12-11-22-6-3-7-23-13-15-27(21)32(24)31(22)23/h3,6-7,9-16,18,26,36H,2,4-5,8,17,19-20H2,1H3