2-methyl-5-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-methyl-5-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-2-methyl-5-nitro-pyridine-3-carboxamide CAS Name: 2-methyl-5-nitro-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methyl-5-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-2-methyl-5-nitro-nicotinamide Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)NCC2=CC=C(C=C2)NC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)NCC2=CC=C(C=C2)NC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-11(2)21-18(25)22-14-6-4-13(5-7-14)9-20-17(24)16-8-15(23(26)27)10-19-12(16)3/h4-8,10-11H,9H2,1-3H3,(H,20,24)(H2,21,22,25)