1-[3-[[2,4-dinitro-5-[(phenylmethyl)amino]phenyl]amino]propyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[[2,4-dinitro-5-[(phenylmethyl)amino]phenyl]amino]propyl]pyrrolidin-2-one Openeye Name: 1-[3-[5-(benzylamino)-2,4-dinitro-anilino]propyl]pyrrolidin-2-one CAS Name: 1-[3-[2,4-dinitro-5-[(phenylmethyl)amino]anilino]propyl]-2-pyrrolidinone IUPAC Name: 1-[3-[5-(benzylamino)-2,4-dinitroanilino]propyl]pyrrolidin-2-one Traditional Name: 1-[3-[5-(benzylamino)-2,4-dinitro-anilino]propyl]-2-pyrrolidone Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=C(C=C(C(=C2)NCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=C(C=C(C(=C2)NCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O5/c26-20-8-4-10-23(20)11-5-9-21-16-12-17(22-14-15-6-2-1-3-7-15)19(25(29)30)13-18(16)24(27)28/h1-3,6-7,12-13,21-22H,4-5,8-11,14H2