2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)N2C(=O)C3CC=CCC3C2=O)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1)N2C(=O)C3CC=CCC3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-2-9-18-14-8-7-11(10-15(14)20(23)24)19-16(21)12-5-3-4-6-13(12)17(19)22/h3-4,7-8,10,12-13,18H,2,5-6,9H2,1H3