4-azanyl-2-methoxy-5-nitro-N-piperidin-4-yl-benzamide; 7-methoxybicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: 4-azanyl-2-methoxy-5-nitro-N-piperidin-4-yl-benzamide; 7-methoxybicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: 4-amino-2-methoxy-5-nitro-N-(4-piperidyl)benzamide; 7-methoxybicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 4-amino-2-methoxy-5-nitro-N-(4-piperidinyl)benzamide; 7-methoxybicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 4-amino-2-methoxy-5-nitro-N-piperidin-4-ylbenzamide; 7-methoxybicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 4-amino-2-methoxy-5-nitro-N-(4-piperidyl)benzamide; 7-methoxybicyclo[2.2.1]hepta-1,3,5-triene Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=CC=C1C=C2.COC1=CC(=C(C=C1C(=O)NC2CCNCC2)[N+](=O)[O-])N

Isomeric SMILES

COC1C2=CC=C1C=C2.COC1=CC(=C(C=C1C(=O)NC2CCNCC2)[N+](=O)[O-])N

InChI

InChI=1S/C13H18N4O4.C8H8O/c1-21-12-7-10(14)11(17(19)20)6-9(12)13(18)16-8-2-4-15-5-3-8;1-9-8-6-2-3-7(8)5-4-6/h6-8,15H,2-5,14H2,1H3,(H,16,18);2-5,8H,1H3