[5-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-4-methyl-1,2-oxazol-3-yl] hydrogen carbonate

Systemtic Name: [5-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-4-methyl-1,2-oxazol-3-yl] hydrogen carbonate Openeye Name: [5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-4-methyl-isoxazol-3-yl] hydrogen carbonate CAS Name: carbonic acid [5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-4-methyl-3-isoxazolyl] ester IUPAC Name: [5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-4-methyl-1,2-oxazol-3-yl] hydrogen carbonate Traditional Name: carbonic acid [5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-4-methyl-isoxazol-3-yl] ester Formula: C11H15N3O4 MolecularWeight: 253.2545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1OC(=O)O)C2CCCCC(=N2)N

Isomeric SMILES

CC1=C(ON=C1OC(=O)O)C2CCCCC(=N2)N

InChI

InChI=1S/C11H15N3O4/c1-6-9(18-14-10(6)17-11(15)16)7-4-2-3-5-8(12)13-7/h7H,2-5H2,1H3,(H2,12,13)(H,15,16)