ethyl 2-[[3-(aziridin-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-nitroso-amino]ethanoate

Systemtic Name: ethyl 2-[[3-(aziridin-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-nitroso-amino]ethanoate Openeye Name: ethyl 2-[[3-(aziridin-1-yl)-1,4-dioxo-2-naphthyl]-nitroso-amino]acetate CAS Name: 2-[[3-(1-aziridinyl)-1,4-dioxo-2-naphthalenyl]-nitrosoamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(aziridin-1-yl)-1,4-dioxonaphthalen-2-yl]-nitrosoamino]acetate Traditional Name: 2-[(3-ethylenimino-1,4-diketo-2-naphthyl)-nitroso-amino]acetic acid ethyl ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=C(C(=O)C2=CC=CC=C2C1=O)N3CC3)N=O

Isomeric SMILES

CCOC(=O)CN(C1=C(C(=O)C2=CC=CC=C2C1=O)N3CC3)N=O

InChI

InChI=1S/C16H15N3O5/c1-2-24-12(20)9-19(17-23)14-13(18-7-8-18)15(21)10-5-3-4-6-11(10)16(14)22/h3-6H,2,7-9H2,1H3