N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,4-dinitro-aniline CAS Name: N-[(Z)-1-[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]ethylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(Z)-1-[4-methoxy-3-(pyrrolidinomethyl)phenyl]ethylideneamino]amine Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC(=C(C=C2)OC)CN3CCCC3

Isomeric SMILES

C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC(=C(C=C2)OC)CN3CCCC3

InChI

InChI=1S/C20H23N5O5/c1-14(21-22-18-7-6-17(24(26)27)12-19(18)25(28)29)15-5-8-20(30-2)16(11-15)13-23-9-3-4-10-23/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3/b21-14-