N-bis[(4-methyl-3-nitro-phenyl)amino]phosphoryl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-bis[(4-methyl-3-nitro-phenyl)amino]phosphoryl-1-methyl-pyrrole-2-carboxamide Openeye Name: N-bis(4-methyl-3-nitro-anilino)phosphoryl-1-methyl-pyrrole-2-carboxamide CAS Name: N-bis(4-methyl-3-nitroanilino)phosphoryl-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-bis(4-methyl-3-nitroanilino)phosphoryl-1-methylpyrrole-2-carboxamide Traditional Name: N-bis(4-methyl-3-nitro-anilino)phosphoryl-1-methyl-pyrrole-2-carboxamide Formula: C20H21N6O6P MolecularWeight: 472.391101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NP(=O)(NC2=CC(=C(C=C2)C)[N+](=O)[O-])NC(=O)C3=CC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NP(=O)(NC2=CC(=C(C=C2)C)[N+](=O)[O-])NC(=O)C3=CC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N6O6P/c1-13-6-8-15(11-18(13)25(28)29)21-33(32,23-20(27)17-5-4-10-24(17)3)22-16-9-7-14(2)19(12-16)26(30)31/h4-12H,1-3H3,(H3,21,22,23,27,32)