[4-(3-azanyl-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-(3-azanyl-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-2-methoxy-phenyl] ethanoate Openeye Name: [4-(3-amino-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-(3-amino-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(3-amino-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-(3-amino-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-2-methoxy-phenyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OC

InChI

InChI=1S/C22H20N4O3/c1-13(27)29-18-8-7-14(9-19(18)28-2)20-16-6-4-3-5-15(16)17(10-23)21(26)22(20,11-24)12-25/h5,7-9,16,20H,3-4,6,26H2,1-2H3